V008-9957 Screening compound: 3-(4-fluorophenyl)-4-phenyl-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole

V008-9957 Screening compound: 3-(4-fluorophenyl)-4-phenyl-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
V008-9957 Screening compound: 3-(4-fluorophenyl)-4-phenyl-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-9957
3-(4-fluorophenyl)-4-phenyl-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V008-9957

Molecular Formula

C22H15F4N3S (C22 H15 F4 N3 S)

Compound Name

3-(4-fluorophenyl)-4-phenyl-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole

IUPAC name

3-(4-fluorophenyl)-4-phenyl-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-124-triazole

SMILES

FC(c1c(CSc2nnc(-c(cc3)ccc3F)n2-c2ccccc2)cccc1)(F)F

InChI

InChI=1S/C22H15F4N3S/c23-17-12-10-15(11-13-17)20-27-28-21(29(20)18-7-2-1-3-8-18)30-14-16-6-4-5-9-19(16)22(24,25)26/h1-13H,14H2

InChI Key

XFETUGCUANTRKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10462229

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

429.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.215

Distribution Coefficient, logD

6.215

Water Solubility, LogSw

-6.33

Polar Surface Area

24.712

Acid Dissociation Constant (pKa)

24.16

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

V008-9957 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V008-9957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-9957?
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What is the minimum amount of V008-9957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-9957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-9957
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V008-9957 available by request